5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

C29H30ClFN6O — CID 172773725

IUPAC5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCCC1CCCN1c1nc(N)nc2c1C(c1ccc(-n3cnc(Cl)c3)c(OC)c1)CC2c1ccc(F)cc1
InChIInChI=1S/C29H30ClFN6O/c1-3-20-5-4-12-37(20)28-26-21(18-8-11-23(24(13-18)38-2)36-15-25(30)33-16-36)14-22(27(26)34-29(32)35-28)17-6-9-19(31)10-7-17/h6-11,13,15-16,20-22H,3-5,12,14H2,1-2H3,(H2,32,34,35)
InChIKeyNHOMYFDMJWWEDT-UHFFFAOYSA-N
MW533.05 g/mol
LogP6.09
Rot. Bonds6

About 5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 172773725) has the molecular formula C29H30ClFN6O and a molecular weight of 533.05 g/mol. Its IUPAC name is 5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID172773725
Molecular FormulaC29H30ClFN6O
Molecular Weight533.05 g/mol
Exact Mass532.22
IUPAC Name5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCCC1CCCN1c1nc(N)nc2c1C(c1ccc(-n3cnc(Cl)c3)c(OC)c1)CC2c1ccc(F)cc1
InChIInChI=1S/C29H30ClFN6O/c1-3-20-5-4-12-37(20)28-26-21(18-8-11-23(24(13-18)38-2)36-15-25(30)33-16-36)14-22(27(26)34-29(32)35-28)17-6-9-19(31)10-7-17/h6-11,13,15-16,20-22H,3-5,12,14H2,1-2H3,(H2,32,34,35)
InChIKeyNHOMYFDMJWWEDT-UHFFFAOYSA-N
XLogP6.09
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.05
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine with MolForge

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Related Compounds

5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-(4-fluorophenyl)-4-N-(trideuteriomethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 87119372
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 50914084
5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 66709108
2-[4-(4-chloroimidazol-1-yl)-3-methoxyanilino]-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
CID 58109997
(8R)-2-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-4-N,4-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 58075797
(8S)-2-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-4-N,4-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 58075460
2-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-(4-fluorophenyl)-7-N,7-N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine-2,7-diamine
CID 58110141
(9S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-(3,4-difluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 46864536
4-(4-chloroimidazol-1-yl)-3-methoxyaniline
CID 58075757
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine;2,2,2-trifluoroacetic acid
CID 46864764
1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 66708846
1-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,3,7-tetrahydroindolizin-5-one
CID 66961089

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 172773725) is 5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is CCC1CCCN1c1nc(N)nc2c1C(c1ccc(-n3cnc(Cl)c3)c(OC)c1)CC2c1ccc(F)cc1.
What is the InChIKey of 5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is NHOMYFDMJWWEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClFN6O/c1-3-20-5-4-12-37(20)28-26-21(18-8-11-23(24(13-18)38-2)36-15-25(30)33-16-36)14-22(27(26)34-29(32)35-28)17-6-9-19(31)10-7-17/h6-11,13,15-16,20-22H,3-5,12,14H2,1-2H3,(H2,32,34,35).
What are the key properties of 5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 533.05 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 172773725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).